SCHEMBL4581840

SCHEMBL4581840

O=C1NCCN(c2ccnc(NCc3cccnc3)n2)C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.53
IDH1 O75874 5/20 0.47
CDK2 P24941 2/20 0.42
CLK1 P49759 2/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
EIF2AK2 P19525 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
VNN1 O95497 3/20 0.40
LTA4H P09960 1/20 0.39
KDM1A O60341 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DYRK1A Q13627 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4581890 0.92 IDH1 (0.54) OGAIDH1MKNK1MKNK2
SCHEMBL4580354 0.85 OGA (0.55) OGAIDH1MKNK1MKNK2
SCHEMBL4581479 0.85 IDH1 (0.44) OGAIDH1MKNK1MKNK2
SCHEMBL4579658 0.85 IDH1 (0.46) OGAIDH1MKNK1MKNK2
SCHEMBL4580232 0.85 IDH1 (0.46) OGAIDH1
SCHEMBL4581886 0.83 OGA (0.48) OGAIDH1MKNK1MKNK2
SCHEMBL4580841 0.83 IDH1 (0.42) OGAIDH1MKNK1MKNK2
SCHEMBL4582251 0.83 OGA (0.44) OGAIDH1MAPK13MAPK12MAPK11
SCHEMBL4580579 0.83 ACHE (0.47) OGAIDH1CLK1MAPK13MAPK12
SCHEMBL4580672 0.83 OGA (0.48) OGAIDH1MKNK1MKNK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 OGA 3642/4885IDH1 424/4885CDK2 254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.